2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide

C18H20N2O3 — CID 141421893

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
SMILESCOc1cc2c(cc1OC)CN(c1ccccc1C(N)=O)CC2
InChIInChI=1S/C18H20N2O3/c1-22-16-9-12-7-8-20(11-13(12)10-17(16)23-2)15-6-4-3-5-14(15)18(19)21/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,21)
InChIKeyBUZSVXARFKPONO-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.37
Rot. Bonds4

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide (PubChem CID 141421893) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
PubChem CID141421893
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
SMILESCOc1cc2c(cc1OC)CN(c1ccccc1C(N)=O)CC2
InChIInChI=1S/C18H20N2O3/c1-22-16-9-12-7-8-20(11-13(12)10-17(16)23-2)15-6-4-3-5-14(15)18(19)21/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,21)
InChIKeyBUZSVXARFKPONO-UHFFFAOYSA-N
XLogP2.37
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506404
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
4-bromo-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 141421891
1-(2,3-dihydroindol-1-yl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione
CID 108986301
1-(2,3-dihydroindol-1-yl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1,3-dione
CID 108951395
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
3-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 11625057
2-amino-1-(1,3-dihydroisoindol-2-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione
CID 23646033
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 31308382
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide
CID 71898676
phenyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110756222
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide (CID 141421893) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide is COc1cc2c(cc1OC)CN(c1ccccc1C(N)=O)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide?
The InChIKey is BUZSVXARFKPONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-9-12-7-8-20(11-13(12)10-17(16)23-2)15-6-4-3-5-14(15)18(19)21/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,21).
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide is sourced from PubChem (CID 141421893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).